Approximate calculation of frequencies of localized vibrations

An exact calculation of the frequencies of localized vibrations in a crystal with defects meets with considerable difficulties and therefore only the simplest cases have been calculated 9, 10]. An approximate calculation is confined to computing the frequencies of a system composed of several atoms in the neighbourhood of the defect. The interaction between this system and the other atoms of the lattice, which however are immobile in this approximation, is taken into consideration. Since the analytical estimate of the approximation is very rough, the approximate and exact calculations have been compared for some concrete cases (Fig. 1, 2). It is clear from these calculations that the use of the proposed approximation leads to good results.

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